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	hartrees
Energy at 0K	-3628.682255
Energy at 298.15K	-3628.686135
HF Energy	-3628.682255
Nuclear repulsion energy	528.031498

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	1245	1126	227.46	3.70	0.40	0.57
2	A'	901	815	292.60	13.70	0.70	0.82
3	A'	546	494	1.86	10.57	0.01	0.03
4	A'	370	335	0.11	3.96	0.73	0.85
5	A'	335	303	0.10	7.83	0.26	0.42
6	A'	241	218	0.06	4.18	0.61	0.76
7	A"	943	853	278.99	8.35	0.75	0.86
8	A"	433	392	0.24	4.01	0.75	0.86
9	A"	226	204	0.03	3.38	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	0.124	0.000
Br2	-1.396	0.336	0.000
F3	1.063	1.325	0.000
Cl4	1.063	-0.718	1.447
Cl5	1.063	-0.718	-1.447

	C1	Br2	F3	Cl4	Cl5
C1		1.9317	1.3157	1.7593	1.7593
Br2	1.9317		2.6506	3.0418	3.0418
F3	1.3157	2.6506		2.5035	2.5035
Cl4	1.7593	3.0418	2.5035		2.8948
Cl5	1.7593	3.0418	2.5035	2.8948

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	F3	107.907	Br2	C1	Cl4	110.911
Br2	C1	Cl5	110.911	F3	C1	Cl4	108.136
F3	C1	Cl5	108.136	Cl4	C1	Cl5	110.713

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)

using model chemistry: HF/6-311G*

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.102
2	Br	0.076
3	F	-0.224
4	Cl	0.023
5	Cl	0.023

	x	y	z	Total
	-0.475	-0.440	0.000	0.647
CHELPG
AIM
ESP

	x	y	z
x	7.462	-1.234	0.000
y	-1.234	4.877	0.000
z	0.000	0.000	7.053

<r²>	260.899
(<r²>)^1/2	16.152

All results from a given calculation for CBrCl2F (bromodichlorofluoromethane)

using model chemistry: HF/6-311G*

States and conformations

All results from a given calculation for CBrCl₂F (bromodichlorofluoromethane)